10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one

C19H19NO — CID 13202872

IUPAC10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
SMILESCC12CCC(=O)N1CC(c1ccccc1)c1ccccc12
InChIInChI=1S/C19H19NO/c1-19-12-11-18(21)20(19)13-16(14-7-3-2-4-8-14)15-9-5-6-10-17(15)19/h2-10,16H,11-13H2,1H3
InChIKeyJURPPLPLSJMEBO-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.67
Rot. Bonds1

About 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one

10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one (PubChem CID 13202872) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.

Molecular Properties

Compound Name10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
PubChem CID13202872
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one
SMILESCC12CCC(=O)N1CC(c1ccccc1)c1ccccc12
InChIInChI=1S/C19H19NO/c1-19-12-11-18(21)20(19)13-16(14-7-3-2-4-8-14)15-9-5-6-10-17(15)19/h2-10,16H,11-13H2,1H3
InChIKeyJURPPLPLSJMEBO-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The IUPAC name of 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one (CID 13202872) is 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one.
What is the SMILES notation for 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The canonical SMILES for 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one is CC12CCC(=O)N1CC(c1ccccc1)c1ccccc12.
What is the InChIKey of 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
The InChIKey is JURPPLPLSJMEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-19-12-11-18(21)20(19)13-16(14-7-3-2-4-8-14)15-9-5-6-10-17(15)19/h2-10,16H,11-13H2,1H3.
What are the key properties of 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one?
10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one has a molecular weight of 277.37 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-methyl-6-phenyl-1,2,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-3-one is sourced from PubChem (CID 13202872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).